α-synuclein Ligand 47 MD ensemble
Evaluation results
Release 2026-09-16-d74d282221a9 · 2 evaluations · 2 metric rows. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| AutoDock Vina holo: Intrinsically disordered protein ensemble docking Model: AutoDock Vina holo · Benchmark: Intrinsically disordered protein ensemble docking · Dataset: α-synuclein Ligand 47 MD ensemble Fraction of docked frames within 3 Å of MD-observed bound pose; holo protein ensemble. Independent external evaluation · Evaluation metadata: needs review | ||
| 27.96 Docked frames best-matched RMSD <3 Å Unit: % · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedEnsemble docking for intrinsically disordered proteins · Table 2, Ligand 47 row, AutoDock Vina Holo Docking column Source checking is not independent reproduction. |
| DiffDock holo: Intrinsically disordered protein ensemble docking Model: DiffDock holo · Benchmark: Intrinsically disordered protein ensemble docking · Dataset: α-synuclein Ligand 47 MD ensemble Fraction of docked frames within 3 Å of MD-observed bound pose; holo protein ensemble. Independent external evaluation · Evaluation metadata: needs review | ||
| 21.32 Docked frames best-matched RMSD <3 Å Unit: % · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedEnsemble docking for intrinsically disordered proteins · Table 2, Ligand 47 row, DiffDock Holo Docking column Source checking is not independent reproduction. |
Sources and history
Release 2026-09-16-d74d282221a9 · Record review: needs review
- Ensemble docking for intrinsically disordered proteins · Original source · preprint archived 2025-01-26
Technical metadata and extraction receipts
Stable ID: reported-dataset-00201f65c32f6d
- areas
- molecular-interactions
- version
- Not reported
- split
- Not reported
- missing metadata
- version: not_reported_in_legacy_extract; split: not_reported_in_legacy_extract; accession: not_reported_in_legacy_extract